COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL293754
Chemical Name: methyl4-[({[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1CC=C)c1ccc(cc1)Cl

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Molecular Weight: 442.93
Empirical Formula: C21H19ClN4O3S

Physical State: Dry powder
Available Amount: 108 mg

Lipinsky:
logP: 6.17
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 111
Number of rings: 3

     

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